4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide

C18H18N2O2S — CID 19213723

IUPAC4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCCOc1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C18H18N2O2S/c1-3-10-22-14-8-9-15-16(11-14)23-18(19-15)20-17(21)13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)
InChIKeyJZWRMUAUEVLUQO-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.65
Rot. Bonds5

About 4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide

4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 19213723) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID19213723
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCCOc1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C18H18N2O2S/c1-3-10-22-14-8-9-15-16(11-14)23-18(19-15)20-17(21)13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)
InChIKeyJZWRMUAUEVLUQO-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
N-[6-(ethoxymethoxy)-1,3-benzothiazol-2-yl]-4-[2-(4-methylphenyl)ethyl]benzamide
CID 91239635
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
ethyl 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4106278
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide
CID 18854098

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide (CID 19213723) is 4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide is CCCOc1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1.
What is the InChIKey of 4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is JZWRMUAUEVLUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-10-22-14-8-9-15-16(11-14)23-18(19-15)20-17(21)13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,19,20,21).
What are the key properties of 4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide?
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 19213723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).